SCHEMBL1116232

SCHEMBL1116232

CC(C)NC(C)C.CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.67
CHRM1 P11229 1/20 0.67
ALOX15 P16050 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ELANE P08246 1/20 0.36
KMT2A Q03164 2/20 0.35
EGFR P00533 1/20 0.34
TTR P02766 1/20 0.34
FFAR1 O14842 1/20 0.34
HTT P42858 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1116219 1.00 CHRM2 (0.67) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL10098300 0.84 CHRM2 (0.70) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL10098329 0.84 CHRM2 (0.73) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL19982655 0.83 CHRM2 (0.74) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL10098315 0.83 CHRM2 (0.74) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL10098303 0.81 CHRM2 (0.69) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL1158251 0.81 CHRM2 (0.62) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL4659057 0.81 CHRM2 (0.62) CHRM2CHRM1ALOX15ADRB2ADRA2A
SCHEMBL16166473 0.80 CHRM2 (0.70) CHRM2CHRM1ALOX15ADRB2ADRA2A
Fesoterodine SCHEMBL15148766 0.80 CHRM2 (1.00) CHRM2CHRM1ALOX15ADRB2ADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855421-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA SAU (ES) 2018-03-21 EP disclosed
US-9422228-B2 Process for the preparation of optically pure fesoterodine derivatives CRYSTAL PHARMA, S.A.U. (ES) 2016-08-23 US disclosed
EP-2855421-A2 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES Crystal Pharma S.A.U (ES) 2015-04-08 EP disclosed
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES CURIA SPAIN, S.A.U. (ES) 2015-04-02 US disclosed
US-8722920-B2 Process for obtaining 3, 3-diphenylpropylamines CRYSTAL PHARMA S.A.U. (ES) 2014-05-13 US disclosed
EP-2281801-B1 Process for obtaining 3,3-diphenylpropylamines CRYSTAL PHARMA SAU (ES) 2014-01-08 EP disclosed
WO-2013113946-A2 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA, S.A.U. (ES) 2013-08-08 WO disclosed
US-20120220797-A1 PROCESS FOR OBTAINING 3, 3-DIPHENYLPROPYLAMINES CURIA SPAIN, S.A.U. (ES) 2012-08-30 US disclosed
EP-2281801-A1 Process for obtaining 3,3-diphenylpropylamines Ragactives, S.L.U. (ES) 2011-02-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220797-A1 PROCESS FOR OBTAINING 3, 3-DIPHENYLPROPYLAMINES ADRB3, CHRM3, CYP4F3 CHRM2 8/4885CHRM1 12/4885ALOX15 4707/4885
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES ADH1C, NISCH, ADH1A CHRM2 10/4885CHRM1 11/4885ALOX15 4814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.